2-[[3-methyl-4-[3-(trideuteriomethoxy)propoxy]pyridin-2-yl]methylsulfanyl]-1H-benzimidazole


Chemical Name: 2-[[3-methyl-4-[3-(trideuteriomethoxy)propoxy]pyridin-2-yl]methylsulfanyl]-1H-benzimidazole
CAS Number: 117977-21-6
Product Number: AG007QM8(AGN-PC-07Y4VA)
Synonyms:
MDL No: MFCD08063845
Molecular Formula: C18H21N3O2S
Molecular Weight: 343.4432

Identification/Properties


Computed Properties
Molecular Weight:
343.445g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
8
Exact Mass:
343.135g/mol
Monoisotopic Mass:
343.135g/mol
Topological Polar Surface Area:
85.3A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
374
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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